data_6304 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Amide chemical shifts of mature human SUMO-1 ; _BMRB_accession_number 6304 _BMRB_flat_file_name bmr6304.str _Entry_type original _Submission_date 2004-08-27 _Accession_date 2004-08-27 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 McIntosh Lawrence P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 93 "15N chemical shifts" 93 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-11-29 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 6305 'RanGAP1 C-domain' 6306 'Sumoylated RanGAP1' stop_ _Original_release_date 2004-11-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and Dynamic Independence of Isopeptide-linked RanGAP1 and SUMO-1' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15355965 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Macauley Matthew S. . 2 Errington Wesley J. . 3 Okon Mark . . 4 Scharpf Manuela . . 5 Mackereth Cameron D. . 6 Schulman Brenda A. . 7 McIntosh Lawrence P. . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 47 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 49131 _Page_last 49137 _Year 2004 _Details . loop_ _Keyword sumo 'ubiquitin-like protein' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name SUMO-1 _Abbreviation_common SUMO-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SUMO-1 $SUMO-1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function ; Sumoylation (covalent isopeptide linkage of Gly97 to the side chain amino group of a lysine in a target protein) ; stop_ _Database_query_date . _Details 'Residues 1-97 of mature human sumo-1' save_ ######################## # Monomeric polymers # ######################## save_SUMO-1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SUMO-1 _Abbreviation_common SUMO-1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 100 _Mol_residue_sequence ; GSHMSDQEAKPSTEDLGDKK EGEYIKLKVIGQDSSEIHFK VKMTTHLKKLKESYCQRQGV PMNSLRFLFEGQRIADNHTP KELGMEEEDVIEVYQEQTGG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -3 GLY 2 -2 SER 3 -1 HIS 4 1 MET 5 2 SER 6 3 ASP 7 4 GLN 8 5 GLU 9 6 ALA 10 7 LYS 11 8 PRO 12 9 SER 13 10 THR 14 11 GLU 15 12 ASP 16 13 LEU 17 14 GLY 18 15 ASP 19 16 LYS 20 17 LYS 21 18 GLU 22 19 GLY 23 20 GLU 24 21 TYR 25 22 ILE 26 23 LYS 27 24 LEU 28 25 LYS 29 26 VAL 30 27 ILE 31 28 GLY 32 29 GLN 33 30 ASP 34 31 SER 35 32 SER 36 33 GLU 37 34 ILE 38 35 HIS 39 36 PHE 40 37 LYS 41 38 VAL 42 39 LYS 43 40 MET 44 41 THR 45 42 THR 46 43 HIS 47 44 LEU 48 45 LYS 49 46 LYS 50 47 LEU 51 48 LYS 52 49 GLU 53 50 SER 54 51 TYR 55 52 CYS 56 53 GLN 57 54 ARG 58 55 GLN 59 56 GLY 60 57 VAL 61 58 PRO 62 59 MET 63 60 ASN 64 61 SER 65 62 LEU 66 63 ARG 67 64 PHE 68 65 LEU 69 66 PHE 70 67 GLU 71 68 GLY 72 69 GLN 73 70 ARG 74 71 ILE 75 72 ALA 76 73 ASP 77 74 ASN 78 75 HIS 79 76 THR 80 77 PRO 81 78 LYS 82 79 GLU 83 80 LEU 84 81 GLY 85 82 MET 86 83 GLU 87 84 GLU 88 85 GLU 89 86 ASP 90 87 VAL 91 88 ILE 92 89 GLU 93 90 VAL 94 91 TYR 95 92 GLN 96 93 GLU 97 94 GLN 98 95 THR 99 96 GLY 100 97 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 16611 SUMO1 97.00 97 100.00 100.00 1.66e-63 BMRB 17536 SUMO1 97.00 97 100.00 100.00 1.66e-63 BMRB 25299 entity 97.00 97 100.00 100.00 1.66e-63 PDB 1A5R "Structure Determination Of The Small Ubiquitin-Related Modifier Sumo-1, Nmr, 10 Structures" 97.00 103 100.00 100.00 1.47e-63 PDB 1TGZ "Structure Of Human Senp2 In Complex With Sumo-1" 80.00 80 100.00 100.00 1.56e-50 PDB 1WYW "Crystal Structure Of Sumo1-Conjugated Thymine Dna Glycosylase" 97.00 97 100.00 100.00 1.66e-63 PDB 1Y8R "Sumo E1 Activating Enzyme Sae1-Sae2-Sumo1-Mg-Atp Complex" 97.00 97 100.00 100.00 1.66e-63 PDB 1Z5S "Crystal Structure Of A Complex Between Ubc9, Sumo-1, Rangap1 And Nup358RANBP2" 80.00 82 100.00 100.00 1.63e-50 PDB 2ASQ "Solution Structure Of Sumo-1 In Complex With A Sumo-Binding Motif (Sbm)" 97.00 97 100.00 100.00 1.66e-63 PDB 2BF8 "Crystal Structure Of Sumo Modified Ubiquitin Conjugating Enzyme E2-25k" 77.00 77 100.00 100.00 1.55e-48 PDB 2G4D "Crystal Structure Of Human Senp1 Mutant (C603s) In Complex With Sumo-1" 78.00 78 100.00 100.00 3.54e-49 PDB 2IO2 "Crystal Structure Of Human Senp2 In Complex With Rangap1-sumo-1" 80.00 82 100.00 100.00 1.63e-50 PDB 2IY0 "Senp1 (Mutant) Sumo1 Rangap" 78.00 82 100.00 100.00 2.99e-49 PDB 2IY1 "Senp1 (Mutant) Full Length Sumo1" 78.00 83 100.00 100.00 4.21e-49 PDB 2KQS "Phosphorylation Of Sumo-interacting Motif By Ck2 Enhances Daxx Sumo Binding Activity" 97.00 99 100.00 100.00 1.65e-63 PDB 2LAS "Molecular Determinants Of Paralogue-Specific Sumo-Sim Recognition" 78.00 78 100.00 100.00 3.54e-49 PDB 2MW5 "Backbone Fold Of Human Small Ubiquitin Like Modifier Protein-1 (sumo- 1) Based On Prot3d-nmr Approach" 97.00 97 100.00 100.00 1.66e-63 PDB 2PE6 "Non-Covalent Complex Between Human Sumo-1 And Human Ubc9" 97.00 97 100.00 100.00 1.66e-63 PDB 2UYZ "Non-Covalent Complex Between Ubc9 And Sumo1" 78.00 79 100.00 100.00 3.34e-49 PDB 2VRR "Structure Of Sumo Modified Ubc9" 78.00 79 100.00 100.00 3.34e-49 PDB 3KYC "Human Sumo E1 Complex With A Sumo1-Amp Mimic" 97.00 97 98.97 98.97 1.17e-62 PDB 3KYD "Human Sumo E1~sumo1-amp Tetrahedral Intermediate Mimic" 98.00 115 98.98 98.98 3.33e-63 PDB 3RZW "Crystal Structure Of The Monobody Ysmb-9 Bound To Human Sumo1" 97.00 99 98.97 98.97 2.08e-62 PDB 3UIP "Complex Between Human Rangap1-sumo1, Ubc9 And The Ir1 Domain From Ranbp2 Containing Ir2 Motif Ii" 80.00 80 100.00 100.00 1.56e-50 PDB 4WJN "Crystal Structure Of Sumo1 In Complex With Phosphorylated Pml" 81.00 83 98.77 98.77 4.52e-50 PDB 4WJO "Crystal Structure Of Sumo1 In Complex With Pml" 81.00 83 98.77 98.77 4.52e-50 PDB 4WJP "Crystal Structure Of Sumo1 In Complex With Phosphorylated Daxx" 81.00 83 98.77 98.77 4.52e-50 PDB 4WJQ "Crystal Structure Of Sumo1 In Complex With Daxx" 81.00 83 98.77 98.77 4.52e-50 DBJ BAB22172 "unnamed protein product [Mus musculus]" 97.00 101 100.00 100.00 1.66e-63 DBJ BAB27379 "unnamed protein product [Mus musculus]" 97.00 101 100.00 100.00 1.66e-63 DBJ BAB93477 "ubiquitin-homology domain protein PIC1 [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 DBJ BAC40739 "unnamed protein product [Mus musculus]" 97.00 101 100.00 100.00 1.66e-63 DBJ BAE35024 "unnamed protein product [Mus musculus]" 97.00 101 100.00 100.00 1.66e-63 EMBL CAA67898 "SMT3C protein [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 EMBL CAG31129 "hypothetical protein RCJMB04_2j18 [Gallus gallus]" 97.00 101 97.94 97.94 4.20e-62 EMBL CAG46944 "UBL1 [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 EMBL CAG46953 "UBL1 [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 EMBL CAH92616 "hypothetical protein [Pongo abelii]" 97.00 101 100.00 100.00 1.66e-63 GB AAB39999 "sentrin [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 GB AAB40388 "ubiquitin-homology domain protein PIC1 [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 GB AAB40390 "gap modifying protein 1 [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 GB AAC39959 "ubiquitin-homology domain protein [Mus musculus]" 97.00 101 100.00 100.00 1.66e-63 GB AAC50733 "similar to ubiquitin and to yeast Smt3p (suppressor of MIF2); Method: conceptual translation supplied by author [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 REF NP_001005781 "small ubiquitin-related modifier 1 isoform a precursor [Homo sapiens]" 97.00 101 100.00 100.00 1.66e-63 REF NP_001005782 "small ubiquitin-related modifier 1 isoform b precursor [Homo sapiens]" 69.00 76 100.00 100.00 9.91e-43 REF NP_001009672 "small ubiquitin-related modifier 1 precursor [Rattus norvegicus]" 97.00 101 100.00 100.00 1.66e-63 REF NP_001030535 "small ubiquitin-related modifier 1 precursor [Bos taurus]" 97.00 101 100.00 100.00 1.66e-63 REF NP_001106146 "small ubiquitin-related modifier 1 precursor [Sus scrofa]" 97.00 101 100.00 100.00 1.66e-63 SP A7WLH8 "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; Flags: Precursor [Sus scrofa]" 97.00 101 100.00 100.00 1.66e-63 SP P63165 "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; AltName: Full=GAP-modifying protein 1; Short=GMP1; AltName: Ful" 97.00 101 100.00 100.00 1.66e-63 SP P63166 "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; AltName: Full=SMT3 homolog 3; AltName: Full=Ubiquitin-homology " 97.00 101 100.00 100.00 1.66e-63 SP Q2EF74 "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; Flags: Precursor [Ictidomys tridecemlineatus]" 97.00 101 100.00 100.00 1.51e-63 SP Q5E9D1 "RecName: Full=Small ubiquitin-related modifier 1; Short=SUMO-1; Flags: Precursor [Bos taurus]" 97.00 101 100.00 100.00 1.66e-63 TPG DAA32560 "TPA: small ubiquitin-related modifier 1 precursor [Bos taurus]" 97.00 101 100.00 100.00 1.66e-63 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $SUMO-1 'Homo sapian' 9606 Eukaryota Animalia Homo sapians stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $SUMO-1 'recombinant technology' 'E. coli' Escherichia coli BL21 pET28a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $SUMO-1 . mM . KCl 100 mM . KPhos 10 mM . DTT 2 mM . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_NMRpipe _Saveframe_category software _Name NMRpipe _Version . _Details . save_ save_Felix _Saveframe_category software _Name Felix _Version . _Details . save_ save_Sparky _Saveframe_category software _Name Sparky _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Unity _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label $sample save_ save_15N-editted_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-editted NOESY-HSQC' _Sample_label $sample save_ save_15N-editted_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-editted TOCSY-HSQC' _Sample_label $sample save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-editted NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-editted TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.1 pH temperature 290 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0 external direct cylindrical 'outside sample' parallel 1.0 $entry_citation $entry_citation DSS N 15 nitrogen ppm 0 external indirect cylindrical 'outside sample' parallel 0.101329118 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name SUMO-1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 5 SER H H 8.463 0.02 1 2 . 5 SER N N 117.042 0.1 1 3 . 6 ASP H H 8.474 0.02 1 4 . 6 ASP N N 122.335 0.1 1 5 . 7 GLN H H 8.255 0.02 1 6 . 7 GLN N N 119.711 0.1 1 7 . 8 GLU H H 8.282 0.02 1 8 . 8 GLU N N 121.577 0.1 1 9 . 9 ALA H H 8.282 0.02 1 10 . 9 ALA N N 125.409 0.1 1 11 . 10 LYS H H 8.323 0.02 1 12 . 10 LYS N N 122.365 0.1 1 13 . 12 SER H H 8.611 0.02 1 14 . 12 SER N N 116.956 0.1 1 15 . 13 THR H H 8.263 0.02 1 16 . 13 THR N N 115.914 0.1 1 17 . 14 GLU H H 8.379 0.02 1 18 . 14 GLU N N 123.107 0.1 1 19 . 15 ASP H H 8.428 0.02 1 20 . 15 ASP N N 122.263 0.1 1 21 . 16 LEU H H 8.411 0.02 1 22 . 16 LEU N N 123.781 0.1 1 23 . 17 GLY H H 8.474 0.02 1 24 . 17 GLY N N 108.979 0.1 1 25 . 18 ASP H H 8.223 0.02 1 26 . 18 ASP N N 120.494 0.1 1 27 . 19 LYS H H 8.448 0.02 1 28 . 19 LYS N N 122.135 0.1 1 29 . 20 LYS H H 8.362 0.02 1 30 . 20 LYS N N 122.148 0.1 1 31 . 21 GLU H H 8.509 0.02 1 32 . 21 GLU N N 121.949 0.1 1 33 . 22 GLY H H 8.468 0.02 1 34 . 22 GLY N N 109.737 0.1 1 35 . 23 GLU H H 8.317 0.02 1 36 . 23 GLU N N 121.365 0.1 1 37 . 24 TYR H H 8.383 0.02 1 38 . 24 TYR N N 119.393 0.1 1 39 . 25 ILE H H 9.175 0.02 1 40 . 25 ILE N N 116.765 0.1 1 41 . 26 LYS H H 8.634 0.02 1 42 . 26 LYS N N 124.403 0.1 1 43 . 27 LEU H H 8.953 0.02 1 44 . 27 LEU N N 124.192 0.1 1 45 . 28 LYS H H 8.643 0.02 1 46 . 28 LYS N N 120.731 0.1 1 47 . 29 VAL H H 9.123 0.02 1 48 . 29 VAL N N 124.16 0.1 1 49 . 30 ILE H H 9.085 0.02 1 50 . 30 ILE N N 128.351 0.1 1 51 . 31 GLY H H 8.495 0.02 1 52 . 31 GLY N N 113.374 0.1 1 53 . 32 GLN H H 8.768 0.02 1 54 . 32 GLN N N 120.547 0.1 1 55 . 33 ASP H H 8.354 0.02 1 56 . 33 ASP N N 118.411 0.1 1 57 . 34 SER H H 8.018 0.02 1 58 . 34 SER N N 111.168 0.1 1 59 . 35 SER H H 8.103 0.02 1 60 . 35 SER N N 117.554 0.1 1 61 . 36 GLU H H 8.626 0.02 1 62 . 36 GLU N N 121.813 0.1 1 63 . 37 ILE H H 8.832 0.02 1 64 . 37 ILE N N 125.094 0.1 1 65 . 38 HIS H H 8.7 0.02 1 66 . 38 HIS N N 125.705 0.1 1 67 . 39 PHE H H 9.121 0.02 1 68 . 39 PHE N N 120.04 0.1 1 69 . 40 LYS H H 8.793 0.02 1 70 . 40 LYS N N 123.822 0.1 1 71 . 41 VAL H H 9.156 0.02 1 72 . 41 VAL N N 119.736 0.1 1 73 . 42 LYS H H 8.63 0.02 1 74 . 42 LYS N N 122.371 0.1 1 75 . 43 MET H H 8.586 0.02 1 76 . 43 MET N N 120.03 0.1 1 77 . 44 THR H H 6.998 0.02 1 78 . 44 THR N N 100.178 0.1 1 79 . 45 THR H H 7.202 0.02 1 80 . 45 THR N N 120.652 0.1 1 81 . 46 HIS H H 8.819 0.02 1 82 . 46 HIS N N 126.371 0.1 1 83 . 47 LEU H H 9.365 0.02 1 84 . 47 LEU N N 124.831 0.1 1 85 . 48 LYS H H 8.553 0.02 1 86 . 48 LYS N N 121.459 0.1 1 87 . 49 LYS H H 7.521 0.02 1 88 . 49 LYS N N 114.079 0.1 1 89 . 50 LEU H H 6.755 0.02 1 90 . 50 LEU N N 121.972 0.1 1 91 . 51 LYS H H 7.575 0.02 1 92 . 51 LYS N N 118.305 0.1 1 93 . 52 GLU H H 8.515 0.02 1 94 . 52 GLU N N 118.16 0.1 1 95 . 53 SER H H 7.983 0.02 1 96 . 53 SER N N 115.728 0.1 1 97 . 54 TYR H H 8.856 0.02 1 98 . 54 TYR N N 122.731 0.1 1 99 . 55 CYS H H 8.688 0.02 1 100 . 55 CYS N N 117.468 0.1 1 101 . 56 GLN H H 8.339 0.02 1 102 . 56 GLN N N 119.252 0.1 1 103 . 57 ARG H H 8.028 0.02 1 104 . 57 ARG N N 120.21 0.1 1 105 . 58 GLN H H 7.823 0.02 1 106 . 58 GLN N N 114.213 0.1 1 107 . 59 GLY H H 7.947 0.02 1 108 . 59 GLY N N 109.817 0.1 1 109 . 60 VAL H H 7.668 0.02 1 110 . 60 VAL N N 112.076 0.1 1 111 . 62 MET H H 9.015 0.02 1 112 . 62 MET N N 124.568 0.1 1 113 . 63 ASN H H 8.439 0.02 1 114 . 63 ASN N N 113.252 0.1 1 115 . 64 SER H H 7.946 0.02 1 116 . 64 SER N N 113.147 0.1 1 117 . 65 LEU H H 7.28 0.02 1 118 . 65 LEU N N 121.012 0.1 1 119 . 66 ARG H H 9.011 0.02 1 120 . 66 ARG N N 120.207 0.1 1 121 . 67 PHE H H 8.937 0.02 1 122 . 67 PHE N N 122.595 0.1 1 123 . 68 LEU H H 9.755 0.02 1 124 . 68 LEU N N 124.274 0.1 1 125 . 69 PHE H H 8.978 0.02 1 126 . 69 PHE N N 119.456 0.1 1 127 . 70 GLU H H 9.388 0.02 1 128 . 70 GLU N N 129.292 0.1 1 129 . 71 GLY H H 8.878 0.02 1 130 . 71 GLY N N 103.2 0.1 1 131 . 72 GLN H H 8.005 0.02 1 132 . 72 GLN N N 120.758 0.1 1 133 . 73 ARG H H 8.688 0.02 1 134 . 73 ARG N N 124.491 0.1 1 135 . 74 ILE H H 9.038 0.02 1 136 . 74 ILE N N 126.999 0.1 1 137 . 75 ALA H H 10.936 0.02 1 138 . 75 ALA N N 139.516 0.1 1 139 . 76 ASP H H 8.784 0.02 1 140 . 76 ASP N N 120.55 0.1 1 141 . 77 ASN H H 7.749 0.02 1 142 . 77 ASN N N 109.577 0.1 1 143 . 78 HIS H H 7.165 0.02 1 144 . 78 HIS N N 119.873 0.1 1 145 . 79 THR H H 7.326 0.02 1 146 . 79 THR N N 108.375 0.1 1 147 . 81 LYS H H 8.095 0.02 1 148 . 81 LYS N N 115.393 0.1 1 149 . 82 GLU H H 7.986 0.02 1 150 . 82 GLU N N 120.843 0.1 1 151 . 83 LEU H H 7.501 0.02 1 152 . 83 LEU N N 115.17 0.1 1 153 . 84 GLY H H 7.664 0.02 1 154 . 84 GLY N N 108.097 0.1 1 155 . 85 MET H H 7.643 0.02 1 156 . 85 MET N N 117.757 0.1 1 157 . 86 GLU H H 9.328 0.02 1 158 . 86 GLU N N 121.122 0.1 1 159 . 87 GLU H H 8.297 0.02 1 160 . 87 GLU N N 119.933 0.1 1 161 . 88 GLU H H 9.375 0.02 1 162 . 88 GLU N N 119.007 0.1 1 163 . 89 ASP H H 8.17 0.02 1 164 . 89 ASP N N 120.344 0.1 1 165 . 90 VAL H H 8.21 0.02 1 166 . 90 VAL N N 116.732 0.1 1 167 . 91 ILE H H 9.174 0.02 1 168 . 91 ILE N N 127.39 0.1 1 169 . 92 GLU H H 8.874 0.02 1 170 . 92 GLU N N 125.904 0.1 1 171 . 93 VAL H H 7.789 0.02 1 172 . 93 VAL N N 119.803 0.1 1 173 . 94 TYR H H 8.551 0.02 1 174 . 94 TYR N N 124.285 0.1 1 175 . 95 GLN H H 8.736 0.02 1 176 . 95 GLN N N 120.841 0.1 1 177 . 96 GLU H H 8.438 0.02 1 178 . 96 GLU N N 125.202 0.1 1 179 . 97 GLN H H 8.797 0.02 1 180 . 97 GLN N N 122.979 0.1 1 181 . 98 THR H H 8.409 0.02 1 182 . 98 THR N N 116.157 0.1 1 183 . 99 GLY H H 8.522 0.02 1 184 . 99 GLY N N 111.917 0.1 1 185 . 100 GLY H H 8.043 0.02 1 186 . 100 GLY N N 115.428 0.1 1 stop_ save_